5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline

C16H15FN2O — CID 83162859

IUPAC5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
SMILESCOc1cccc2c1ccn2Cc1ccc(F)cc1N
InChIInChI=1S/C16H15FN2O/c1-20-16-4-2-3-15-13(16)7-8-19(15)10-11-5-6-12(17)9-14(11)18/h2-9H,10,18H2,1H3
InChIKeyKDKQGQCORXRUIY-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.42
Rot. Bonds3

About 5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline

5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline (PubChem CID 83162859) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
PubChem CID83162859
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
SMILESCOc1cccc2c1ccn2Cc1ccc(F)cc1N
InChIInChI=1S/C16H15FN2O/c1-20-16-4-2-3-15-13(16)7-8-19(15)10-11-5-6-12(17)9-14(11)18/h2-9H,10,18H2,1H3
InChIKeyKDKQGQCORXRUIY-UHFFFAOYSA-N
XLogP3.42
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole
CID 102879188
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline
CID 64768625
2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768237
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943
4-[(4-ethoxyindol-1-yl)methyl]-3-fluoroaniline
CID 83163642
3-[(4-ethoxyindol-1-yl)methyl]-2-fluoroaniline
CID 107347751
2-[(4-methoxyindol-1-yl)methyl]benzamide
CID 83165956
[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
CID 114346645
3-[(4-methoxyindol-1-yl)methyl]phenol
CID 83173528
4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline
CID 43341860
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline?
The IUPAC name of 5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline (CID 83162859) is 5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline is COc1cccc2c1ccn2Cc1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline?
The InChIKey is KDKQGQCORXRUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-20-16-4-2-3-15-13(16)7-8-19(15)10-11-5-6-12(17)9-14(11)18/h2-9H,10,18H2,1H3.
What are the key properties of 5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline?
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline has a molecular weight of 270.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline is sourced from PubChem (CID 83162859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).